(4R)-4-(2,2-dimethylpropyl)-2,2-dimethyl-8-(methylamino)octan-3-one

C16H33NO — CID 159239549

IUPAC(4R)-4-(2,2-dimethylpropyl)-2,2-dimethyl-8-(methylamino)octan-3-one
SMILESCNCCCC[C@H](CC(C)(C)C)C(=O)C(C)(C)C
InChIInChI=1S/C16H33NO/c1-15(2,3)12-13(10-8-9-11-17-7)14(18)16(4,5)6/h13,17H,8-12H2,1-7H3/t13-/m1/s1
InChIKeyDMELSKCTBVWMAN-CYBMUJFWSA-N
MW255.45 g/mol
LogP4.04
Rot. Bonds7

About (4R)-4-(2,2-dimethylpropyl)-2,2-dimethyl-8-(methylamino)octan-3-one

(4R)-4-(2,2-dimethylpropyl)-2,2-dimethyl-8-(methylamino)octan-3-one (PubChem CID 159239549) has the molecular formula C16H33NO and a molecular weight of 255.45 g/mol. Its IUPAC name is (4R)-4-(2,2-dimethylpropyl)-2,2-dimethyl-8-(methylamino)octan-3-one.

Molecular Properties

Compound Name(4R)-4-(2,2-dimethylpropyl)-2,2-dimethyl-8-(methylamino)octan-3-one
PubChem CID159239549
Molecular FormulaC16H33NO
Molecular Weight255.45 g/mol
Exact Mass255.26
IUPAC Name(4R)-4-(2,2-dimethylpropyl)-2,2-dimethyl-8-(methylamino)octan-3-one
SMILESCNCCCC[C@H](CC(C)(C)C)C(=O)C(C)(C)C
InChIInChI=1S/C16H33NO/c1-15(2,3)12-13(10-8-9-11-17-7)14(18)16(4,5)6/h13,17H,8-12H2,1-7H3/t13-/m1/s1
InChIKeyDMELSKCTBVWMAN-CYBMUJFWSA-N
XLogP4.04
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

8-azido-4-(2,2-dimethylpropyl)-2,2-dimethyloctan-3-one
CID 146777292
2-tert-butyl-6-(methylamino)hexanoic acid
CID 87524878
(3S)-7-(methylamino)-3-propylheptan-2-one
CID 159849059
bis(2,2-dimethylpentan-3-one);tris((3S)-3-ethyl-7-(methylamino)heptan-2-one);propane
CID 163708383
5-ethyl-N,7,7-trimethyl-6-methylideneoctan-1-amine
CID 155468092
2,2-dimethyl-4-octadecyldocosan-3-one
CID 169059642
2-tert-butyl-4,4-dimethyl-N-[3-(methylamino)propyl]pentanamide
CID 170128200
(2S)-2-amino-6-(methylamino)hexanoic acid;ethane
CID 144761266
tert-butyl 2,6-bis(methylamino)hexanoate
CID 59397454
2-(aminomethyl)-4,4-dimethyl-N-(4-methylpentyl)pentanamide
CID 107471697
(3R)-3,7-bis(methylamino)heptan-2-one
CID 91227284
(3R)-3-(hydroxymethyl)-6-(methylamino)hexan-2-one
CID 59862123

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(2,2-dimethylpropyl)-2,2-dimethyl-8-(methylamino)octan-3-one?
The IUPAC name of (4R)-4-(2,2-dimethylpropyl)-2,2-dimethyl-8-(methylamino)octan-3-one (CID 159239549) is (4R)-4-(2,2-dimethylpropyl)-2,2-dimethyl-8-(methylamino)octan-3-one.
What is the SMILES notation for (4R)-4-(2,2-dimethylpropyl)-2,2-dimethyl-8-(methylamino)octan-3-one?
The canonical SMILES for (4R)-4-(2,2-dimethylpropyl)-2,2-dimethyl-8-(methylamino)octan-3-one is CNCCCC[C@H](CC(C)(C)C)C(=O)C(C)(C)C.
What is the InChIKey of (4R)-4-(2,2-dimethylpropyl)-2,2-dimethyl-8-(methylamino)octan-3-one?
The InChIKey is DMELSKCTBVWMAN-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H33NO/c1-15(2,3)12-13(10-8-9-11-17-7)14(18)16(4,5)6/h13,17H,8-12H2,1-7H3/t13-/m1/s1.
What are the key properties of (4R)-4-(2,2-dimethylpropyl)-2,2-dimethyl-8-(methylamino)octan-3-one?
(4R)-4-(2,2-dimethylpropyl)-2,2-dimethyl-8-(methylamino)octan-3-one has a molecular weight of 255.45 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(2,2-dimethylpropyl)-2,2-dimethyl-8-(methylamino)octan-3-one is sourced from PubChem (CID 159239549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).